VG1

ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE

Created:1999-08-24
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count5
Bond Count33
Aromatic Bond Count0
2D diagram of VG1

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Chemical Component Summary

NameALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
Systematic Name (OpenEye OEToolkits)hydroxy-dioxo-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]methoxy]vanadium
FormulaC6 H13 O12 P V
Molecular Weight359.075
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](CO[V](O)(=O)=O)O[CH](O[P](O)(O)=O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@H](O)[C@@H](CO[V](O)(=O)=O)O[C@H](O[P](O)(O)=O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O
InChIInChI1.03 InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6-;;;;/m1..../s1
InChIKeyInChI1.03 SYRDAPWACIANBN-QMKHLHGBSA-M

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04397 
NameAlpha-D-Glucose-1-Phosphate-6-Vanadate
Groups experimental
SynonymsAlpha-D-Glucose-1-Phosphate-6-Vanadate
CategoriesVanadates

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Phosphoglucomutase-1MVKIVTVKTQAYQDQKPGTSGLRKRVKVFQSSANYAENFIQSIISTVEPA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682